N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine

C14H15BrN2O2 — CID 65184310

IUPACN-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESCOc1ccc(Br)c(-c2cnc(CNC3CC3)o2)c1
InChIInChI=1S/C14H15BrN2O2/c1-18-10-4-5-12(15)11(6-10)13-7-17-14(19-13)8-16-9-2-3-9/h4-7,9,16H,2-3,8H2,1H3
InChIKeyZRURSYUQMSGXNE-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.36
Rot. Bonds5

About N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine

N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (PubChem CID 65184310) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
PubChem CID65184310
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC NameN-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
SMILESCOc1ccc(Br)c(-c2cnc(CNC3CC3)o2)c1
InChIInChI=1S/C14H15BrN2O2/c1-18-10-4-5-12(15)11(6-10)13-7-17-14(19-13)8-16-9-2-3-9/h4-7,9,16H,2-3,8H2,1H3
InChIKeyZRURSYUQMSGXNE-UHFFFAOYSA-N
XLogP3.36
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2-bromo-5-iodophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 114026663
[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179787
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182889
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179079
N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79144718
N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182601
N-[(2-bromo-5-methoxyphenyl)methyl]cyclopropanamine
CID 43163816
5-(2-bromo-5-methoxyphenyl)-2-(1-chloroethyl)-1,3-oxazole
CID 65179645
N-[[5-(2-methoxy-4-nitrophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 104785130
N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65184308
N-[[5-(2-ethoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 65183820
N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine
CID 79755784

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine (CID 65184310) is N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is COc1ccc(Br)c(-c2cnc(CNC3CC3)o2)c1.
What is the InChIKey of N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
The InChIKey is ZRURSYUQMSGXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-18-10-4-5-12(15)11(6-10)13-7-17-14(19-13)8-16-9-2-3-9/h4-7,9,16H,2-3,8H2,1H3.
What are the key properties of N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine has a molecular weight of 323.19 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65184310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).